CID 59444383

Cannabigerovarinic acid

Structural Information

Molecular Formula
C20H28O4
SMILES
CCCC1=CC(=C(C(=C1C(=O)O)O)C/C=C(\C)/CCC=C(C)C)O
InChI
InChI=1S/C20H28O4/c1-5-7-15-12-17(21)16(19(22)18(15)20(23)24)11-10-14(4)9-6-8-13(2)3/h8,10,12,21-22H,5-7,9,11H2,1-4H3,(H,23,24)/b14-10+
InChIKey
FAVCTJGKHFHFHJ-GXDHUFHOSA-N
Compound name
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-propylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2392
Patents

332.19876 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20604 182.0
[M+Na]+ 355.18798 187.0
[M-H]- 331.19148 181.1
[M+NH4]+ 350.23258 194.4
[M+K]+ 371.16192 182.1
[M+H-H2O]+ 315.19602 176.0
[M+HCOO]- 377.19696 196.7
[M+CH3COO]- 391.21261 208.9
[M+Na-2H]- 353.17343 176.6
[M]+ 332.19821 183.4
[M]- 332.19931 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe